Intermetallic NaAu2 as a Heterogeneous Catalyst for Low-Temperature CO Oxidation
| Autor: | Wenyu Huang, Volodymyr Smetana, Patricia A. Thiel, Lin-Lin Wang, Gordon J. Miller, Raghu V. Maligal-Ganesh, Holly Walen, Chaoxian Xiao, Duane D. Johnson |
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| Rok vydání: | 2013 |
| Předmět: |
Reaction mechanism
Surface Properties Binding energy Inorganic chemistry Intermetallic Heterogeneous catalysis Biochemistry Catalysis chemistry.chemical_compound Colloid and Surface Chemistry Alloys Carbon Monoxide Chemistry Sodium Temperature General Chemistry Transition state Oxygen Chemical engineering Quantum Theory Adsorption Gold Selectivity Oxidation-Reduction Carbon monoxide |
| Zdroj: | Journal of the American Chemical Society. 135:9592-9595 |
| ISSN: | 1520-5126 0002-7863 |
| DOI: | 10.1021/ja403175c |
| Popis: | The enhanced stability and modified electronic structure of intermetallic compounds provide discovery of superior catalysts for chemical conversions with high activity, selectivity, and stability. We find that the intermetallic NaAu2 is an active catalyst for CO oxidation at low temperatures. From density functional theory calculations, a reaction mechanism is suggested to explain the observed low reaction barrier of CO oxidation by NaAu2, in which a CO molecule reacts directly with an adsorbed O2 to form an OOCO* intermediate. The presence of surface Na increases the binding energy of O2 and decreases the energy barrier of the transition states. |
| Databáze: | OpenAIRE |
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